null
SMILES: CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=AGKWFZNWRYRSEV-QHCPKHFHSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50346727 (CHEMBL1797791) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human full length cytosolic isoform of carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50346727 (CHEMBL1797791) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50346727 (CHEMBL1797791) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50346727 (CHEMBL1797791) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 22.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human full length cytosolic isoform of carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M | |||||||||||
More data for this Ligand-Target Pair |